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Chemical ID: 4506468
Chemical ID:
4506468
Name [?]:
N-[(2-allyloxyphenyl)methyl]-2-chloro-aniline
SMILES [?]:
C=CCOc1ccccc1CNc2ccccc2Cl
InChi [?]:
InChI=1/C16H16ClNO/c1-2-11-19-16-10-6-3-7-13(16)12-18-15-9-5-4-8-14(15)17/h2-10,18H,1,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,8,16,15,7,9,17,14,6,3,11,10,18,13,5,19,12,4/rA:19nCCCOCCCCCCCNCCCCCCCl/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64078 |
Area: | 486.26 |
Solvation: | -2.51571 |
Coulombic: | -23.8563 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.757 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.53 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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